| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
D |
136 |
37 |
9362 |
◊ |
C |
x,y,z |
1_555 |
131 |
37 |
9242 |
1279.6 |
-2.3 |
0.708 |
27 |
0 |
0 |
0.447 |
2 |
|
L |
131 |
38 |
9188 |
◊ |
K |
x,y,z |
1_555 |
134 |
35 |
8910 |
1257.8 |
-3.9 |
0.685 |
25 |
0 |
0 |
0.447 |
3 |
|
H |
127 |
36 |
9021 |
◊ |
G |
x,y,z |
1_555 |
135 |
35 |
8995 |
1257.6 |
-4.5 |
0.537 |
23 |
0 |
0 |
0.447 |
4 |
|
B |
131 |
36 |
9113 |
◊ |
A |
x,y,z |
1_555 |
130 |
34 |
9034 |
1251.0 |
-5.3 |
0.549 |
24 |
0 |
0 |
0.447 |
5 |
|
F |
132 |
36 |
9308 |
◊ |
E |
x,y,z |
1_555 |
134 |
36 |
9358 |
1211.7 |
-4.3 |
0.647 |
20 |
0 |
0 |
0.447 |
6 |
|
J |
119 |
34 |
8609 |
◊ |
I |
x,y,z |
1_555 |
124 |
33 |
8518 |
1141.5 |
-8.2 |
0.530 |
22 |
0 |
0 |
0.447 |
| Average: |
1233.2 |
-4.7 |
0.609 |
24 |
0 |
0 |
0.447 |
| 2 |
7 |
|
C |
67 |
17 |
9242 |
◊ |
B |
x,y,z |
1_555 |
66 |
18 |
9113 |
597.9 |
-3.1 |
0.509 |
6 |
0 |
0 |
0.135 |
8 |
|
L |
66 |
19 |
9188 |
◊ |
A |
x,y,z |
1_555 |
67 |
19 |
9034 |
596.7 |
-3.4 |
0.514 |
5 |
0 |
0 |
0.135 |
9 |
|
I |
67 |
17 |
8518 |
◊ |
H |
x,y,z |
1_555 |
67 |
17 |
9021 |
594.8 |
-3.3 |
0.493 |
6 |
0 |
0 |
0.135 |
10 |
|
G |
66 |
16 |
8995 |
◊ |
F |
x,y,z |
1_555 |
67 |
17 |
9308 |
590.1 |
-4.3 |
0.442 |
6 |
0 |
0 |
0.135 |
11 |
|
K |
69 |
17 |
8910 |
◊ |
J |
x,y,z |
1_555 |
64 |
19 |
8609 |
587.5 |
-3.6 |
0.560 |
5 |
1 |
0 |
0.135 |
12 |
|
E |
68 |
17 |
9358 |
◊ |
D |
x,y,z |
1_555 |
68 |
17 |
9362 |
586.6 |
-4.4 |
0.443 |
6 |
1 |
0 |
0.135 |
| Average: |
592.3 |
-3.7 |
0.493 |
6 |
0 |
0 |
0.135 |
| 3 |
13 |
|
R |
45 |
10 |
1483 |
◊ |
F |
x,y,z |
1_555 |
61 |
18 |
9308 |
438.8 |
-0.6 |
0.622 |
7 |
5 |
0 |
0.199 |
14 |
|
S |
49 |
10 |
1447 |
◊ |
G |
x,y,z |
1_555 |
57 |
17 |
8995 |
433.1 |
-0.4 |
0.631 |
9 |
7 |
0 |
0.199 |
15 |
|
N |
48 |
10 |
1449 |
◊ |
B |
x,y,z |
1_555 |
54 |
16 |
9113 |
426.0 |
0.1 |
0.662 |
8 |
6 |
0 |
0.199 |
16 |
|
W |
46 |
10 |
1454 |
◊ |
K |
x,y,z |
1_555 |
57 |
17 |
8910 |
425.7 |
-0.2 |
0.645 |
9 |
6 |
0 |
0.199 |
17 |
|
P |
46 |
10 |
1438 |
◊ |
D |
x,y,z |
1_555 |
58 |
17 |
9362 |
424.7 |
-0.2 |
0.594 |
7 |
4 |
0 |
0.199 |
18 |
|
V |
45 |
10 |
1435 |
◊ |
J |
x,y,z |
1_555 |
55 |
17 |
8609 |
420.3 |
0.2 |
0.706 |
12 |
7 |
0 |
0.199 |
19 |
|
Q |
44 |
9 |
1385 |
◊ |
E |
x,y,z |
1_555 |
57 |
18 |
9358 |
420.0 |
-1.1 |
0.562 |
8 |
4 |
0 |
0.199 |
20 |
|
U |
45 |
9 |
1441 |
◊ |
I |
x,y,z |
1_555 |
58 |
17 |
8518 |
418.1 |
-1.2 |
0.577 |
7 |
4 |
0 |
0.199 |
21 |
|
M |
42 |
8 |
1447 |
◊ |
A |
x,y,z |
1_555 |
55 |
17 |
9034 |
417.2 |
-0.6 |
0.576 |
7 |
4 |
0 |
0.199 |
22 |
|
T |
46 |
10 |
1427 |
◊ |
H |
x,y,z |
1_555 |
52 |
16 |
9021 |
414.3 |
-0.6 |
0.597 |
9 |
6 |
0 |
0.199 |
23 |
|
X |
38 |
9 |
1378 |
◊ |
L |
x,y,z |
1_555 |
52 |
16 |
9188 |
406.3 |
-1.6 |
0.574 |
8 |
5 |
0 |
0.199 |
24 |
|
O |
47 |
10 |
1424 |
◊ |
C |
x,y,z |
1_555 |
55 |
16 |
9242 |
396.6 |
-0.6 |
0.601 |
9 |
6 |
0 |
0.199 |
| Average: |
420.1 |
-0.6 |
0.612 |
8 |
5 |
0 |
0.199 |
| 4 |
25 |
|
E |
51 |
14 |
9358 |
◊ |
F |
x-1,y,z |
1_455 |
49 |
13 |
9308 |
423.0 |
-2.0 |
0.550 |
2 |
0 |
0 |
0.000 |
| 5 |
26 |
|
B |
35 |
10 |
9113 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
29 |
10 |
9242 |
310.2 |
0.3 |
0.678 |
4 |
6 |
0 |
0.016 |
27 |
|
L |
35 |
11 |
9188 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
29 |
9 |
9308 |
290.5 |
1.3 |
0.790 |
4 |
5 |
0 |
0.016 |
| Average: |
300.3 |
0.8 |
0.734 |
4 |
6 |
0 |
0.016 |
| 6 |
28 |
|
F |
30 |
15 |
9308 |
x |
F |
x-1,y,z |
1_455 |
25 |
4 |
9308 |
246.2 |
-1.7 |
0.410 |
3 |
0 |
0 |
0.000 |
29 |
|
E |
21 |
3 |
9358 |
x |
E |
x-1,y,z |
1_455 |
27 |
12 |
9358 |
205.4 |
-1.9 |
0.357 |
1 |
0 |
0 |
0.000 |
| Average: |
225.8 |
-1.8 |
0.384 |
2 |
0 |
0 |
0.000 |
| 7 |
30 |
|
A |
22 |
7 |
9034 |
◊ |
G |
-x+3/2,-y,z-1/2 |
2_654 |
23 |
5 |
8995 |
209.4 |
-0.5 |
0.545 |
1 |
3 |
0 |
0.000 |
| 8 |
31 |
|
D |
25 |
7 |
9362 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
23 |
5 |
9021 |
200.6 |
0.1 |
0.646 |
2 |
0 |
0 |
0.000 |
| 9 |
32 |
|
C |
28 |
8 |
9242 |
x |
C |
x-1,y,z |
1_455 |
19 |
4 |
9242 |
186.9 |
-1.0 |
0.533 |
0 |
0 |
0 |
0.000 |
33 |
|
H |
13 |
4 |
9021 |
x |
H |
x-1,y,z |
1_455 |
19 |
6 |
9021 |
148.7 |
0.3 |
0.601 |
0 |
0 |
0 |
0.000 |
| Average: |
167.8 |
-0.3 |
0.567 |
0 |
0 |
0 |
0.000 |
| 10 |
34 |
|
O |
21 |
4 |
1424 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
9113 |
180.9 |
-1.3 |
0.334 |
1 |
2 |
0 |
0.080 |
35 |
|
S |
19 |
4 |
1447 |
◊ |
F |
x,y,z |
1_555 |
17 |
4 |
9308 |
176.5 |
-1.2 |
0.344 |
2 |
3 |
0 |
0.080 |
36 |
|
W |
18 |
4 |
1454 |
◊ |
J |
x,y,z |
1_555 |
20 |
5 |
8609 |
176.4 |
-1.6 |
0.429 |
1 |
2 |
0 |
0.080 |
37 |
|
P |
19 |
4 |
1438 |
◊ |
E |
x,y,z |
1_555 |
20 |
4 |
9358 |
171.2 |
-0.7 |
0.403 |
2 |
2 |
0 |
0.080 |
38 |
|
U |
20 |
4 |
1441 |
◊ |
H |
x,y,z |
1_555 |
19 |
4 |
9021 |
169.2 |
-1.7 |
0.324 |
1 |
1 |
0 |
0.080 |
39 |
|
M |
21 |
4 |
1447 |
◊ |
L |
x,y,z |
1_555 |
15 |
4 |
9188 |
168.7 |
-1.8 |
0.306 |
1 |
1 |
0 |
0.080 |
40 |
|
X |
20 |
4 |
1378 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
9034 |
168.2 |
-1.6 |
0.363 |
1 |
1 |
0 |
0.080 |
41 |
|
R |
18 |
4 |
1483 |
◊ |
G |
x,y,z |
1_555 |
18 |
4 |
8995 |
168.0 |
-1.5 |
0.365 |
1 |
1 |
0 |
0.080 |
42 |
|
N |
20 |
4 |
1449 |
◊ |
C |
x,y,z |
1_555 |
19 |
4 |
9242 |
165.5 |
-1.2 |
0.390 |
2 |
2 |
0 |
0.080 |
43 |
|
V |
21 |
4 |
1435 |
◊ |
K |
x,y,z |
1_555 |
17 |
4 |
8910 |
162.4 |
-1.4 |
0.344 |
1 |
1 |
0 |
0.080 |
44 |
|
T |
18 |
4 |
1427 |
◊ |
I |
x,y,z |
1_555 |
17 |
4 |
8518 |
160.4 |
-1.2 |
0.369 |
2 |
2 |
0 |
0.080 |
45 |
|
Q |
20 |
4 |
1385 |
◊ |
D |
x,y,z |
1_555 |
19 |
4 |
9362 |
160.0 |
-1.2 |
0.415 |
2 |
1 |
0 |
0.080 |
| Average: |
169.0 |
-1.4 |
0.365 |
1 |
2 |
0 |
0.080 |
| 11 |
46 |
|
W |
21 |
3 |
1454 |
◊ |
L |
x,y,z |
1_555 |
22 |
5 |
9188 |
174.7 |
-2.3 |
0.404 |
2 |
0 |
0 |
0.086 |
47 |
|
V |
21 |
3 |
1435 |
◊ |
I |
x,y,z |
1_555 |
18 |
5 |
8518 |
171.8 |
-2.1 |
0.437 |
2 |
0 |
0 |
0.086 |
48 |
|
N |
21 |
3 |
1449 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
9034 |
168.2 |
-2.0 |
0.426 |
2 |
0 |
0 |
0.086 |
49 |
|
P |
21 |
3 |
1438 |
◊ |
C |
x,y,z |
1_555 |
22 |
5 |
9242 |
168.1 |
-1.6 |
0.444 |
2 |
0 |
0 |
0.086 |
50 |
|
M |
21 |
3 |
1447 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
9113 |
166.6 |
-1.3 |
0.494 |
2 |
1 |
0 |
0.086 |
51 |
|
O |
19 |
3 |
1424 |
◊ |
D |
x,y,z |
1_555 |
21 |
5 |
9362 |
159.7 |
-2.0 |
0.405 |
2 |
0 |
0 |
0.086 |
52 |
|
R |
19 |
3 |
1483 |
◊ |
E |
x,y,z |
1_555 |
19 |
5 |
9358 |
158.6 |
-1.4 |
0.484 |
2 |
0 |
0 |
0.086 |
53 |
|
T |
19 |
3 |
1427 |
◊ |
G |
x,y,z |
1_555 |
19 |
5 |
8995 |
156.9 |
-1.9 |
0.422 |
2 |
0 |
0 |
0.086 |
54 |
|
S |
21 |
3 |
1447 |
◊ |
H |
x,y,z |
1_555 |
17 |
5 |
9021 |
156.0 |
-1.5 |
0.455 |
2 |
0 |
0 |
0.086 |
55 |
|
U |
20 |
3 |
1441 |
◊ |
J |
x,y,z |
1_555 |
20 |
5 |
8609 |
149.4 |
-1.6 |
0.480 |
1 |
0 |
0 |
0.086 |
56 |
|
Q |
16 |
2 |
1385 |
◊ |
F |
x,y,z |
1_555 |
19 |
5 |
9308 |
137.9 |
-1.3 |
0.466 |
1 |
1 |
0 |
0.086 |
| Average: |
160.7 |
-1.7 |
0.447 |
2 |
0 |
0 |
0.086 |
| 12 |
57 |
|
K |
17 |
6 |
8910 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
17 |
7 |
8609 |
172.0 |
-2.9 |
0.240 |
1 |
0 |
0 |
0.000 |
| 13 |
58 |
|
X |
20 |
3 |
1378 |
◊ |
K |
x,y,z |
1_555 |
20 |
5 |
8910 |
159.4 |
-1.7 |
0.489 |
1 |
0 |
0 |
0.038 |
| 14 |
59 |
|
D |
18 |
4 |
9362 |
x |
D |
x-1,y,z |
1_455 |
16 |
3 |
9362 |
144.3 |
-0.7 |
0.562 |
0 |
0 |
0 |
0.000 |
| 15 |
60 |
|
E |
16 |
4 |
9358 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
3 |
8518 |
117.2 |
-2.2 |
0.282 |
0 |
0 |
0 |
0.000 |
| 16 |
61 |
|
L |
17 |
8 |
9188 |
◊ |
F |
-x+3/2,-y,z-1/2 |
2_654 |
12 |
4 |
9308 |
114.3 |
-1.9 |
0.327 |
0 |
0 |
0 |
0.000 |
| 17 |
62 |
|
K |
6 |
2 |
8910 |
◊ |
J |
x-1,y,z |
1_455 |
7 |
2 |
8609 |
68.9 |
-1.7 |
0.189 |
0 |
0 |
0 |
0.000 |
| 18 |
63 |
|
A |
6 |
1 |
9034 |
◊ |
L |
x-1,y,z |
1_455 |
9 |
5 |
9188 |
66.8 |
-0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
| 19 |
64 |
|
L |
6 |
2 |
9188 |
◊ |
K |
x-1,y,z |
1_455 |
6 |
2 |
8910 |
60.7 |
-1.0 |
0.325 |
0 |
0 |
0 |
0.000 |
| 20 |
65 |
|
A |
6 |
2 |
9034 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
3 |
8995 |
60.5 |
-0.6 |
0.416 |
1 |
0 |
0 |
0.000 |
| 21 |
66 |
|
[MG]F:301 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
15 |
8 |
9308 |
59.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.553 |
67 |
|
[MG]E:302 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
9358 |
59.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.553 |
68 |
|
[MG]I:302 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
14 |
7 |
8518 |
59.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.553 |
69 |
|
[MG]J:301 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
12 |
7 |
8609 |
59.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.553 |
70 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
9242 |
59.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.553 |
71 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
9362 |
59.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.553 |
72 |
|
[MG]G:302 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
13 |
8 |
8995 |
58.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.553 |
73 |
|
[MG]L:301 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
15 |
8 |
9188 |
58.1 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.553 |
74 |
|
[MG]K:301 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
15 |
8 |
8910 |
57.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.553 |
75 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
9113 |
53.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.553 |
76 |
|
[MG]H:301 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
5 |
5 |
9021 |
50.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.553 |
77 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
9034 |
49.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.553 |
| Average: |
57.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.553 |
| 22 |
78 |
|
[MG]E:301 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
9358 |
55.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.263 |
79 |
|
[MG]F:303 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
9308 |
54.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.263 |
80 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
9362 |
53.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.263 |
81 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9242 |
53.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.263 |
| Average: |
54.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.263 |
| 23 |
82 |
|
[MG]G:303 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
8 |
5 |
8995 |
51.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.225 |
83 |
|
[MG]J:302 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
7 |
5 |
8609 |
51.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.225 |
| Average: |
51.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.225 |
| 24 |
84 |
|
C |
8 |
4 |
9242 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
9 |
6 |
9113 |
51.2 |
-0.2 |
0.542 |
0 |
0 |
0 |
0.000 |
| 25 |
85 |
|
A |
7 |
4 |
9034 |
x |
A |
x-1,y,z |
1_455 |
9 |
3 |
9034 |
48.9 |
-0.8 |
0.415 |
0 |
0 |
0 |
0.000 |
| 26 |
86 |
|
[MG]F:302 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
9308 |
45.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.090 |
| 27 |
87 |
|
[MG]G:301 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
8995 |
43.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.157 |
88 |
|
[MG]B:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
9113 |
41.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.157 |
89 |
|
[MG]B:301 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
9242 |
29.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.157 |
90 |
|
[MG]H:302 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
9021 |
26.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.157 |
91 |
|
[MG]H:302 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
8518 |
23.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.157 |
92 |
|
[MG]G:301 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
9308 |
23.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.157 |
| Average: |
31.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.157 |
| 28 |
93 |
|
[MG]L:302 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
7 |
3 |
9188 |
43.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.128 |
| 29 |
94 |
|
[MG]I:303 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
8518 |
43.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.166 |
95 |
|
[MG]F:304 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
9308 |
41.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.166 |
| Average: |
42.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.166 |
| 30 |
96 |
|
[MG]P:101 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
9362 |
41.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.150 |
97 |
|
[MG]C:305 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
9242 |
40.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.150 |
| Average: |
40.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.150 |
| 31 |
98 |
|
A |
6 |
1 |
9034 |
◊ |
X |
x-1,y,z |
1_455 |
5 |
1 |
1378 |
40.0 |
0.6 |
0.776 |
0 |
0 |
0 |
0.000 |
| 32 |
99 |
|
[MG]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
9242 |
39.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.113 |
| 33 |
100 |
|
[MG]L:302 |
1 |
1 |
98 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
4 |
9308 |
36.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
101 |
|
[MG]P:101 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
10 |
2 |
1438 |
35.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.134 |
102 |
|
[MG]C:305 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
10 |
2 |
1424 |
35.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.134 |
| Average: |
35.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.134 |
| 35 |
103 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
9362 |
34.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.107 |
| 36 |
104 |
|
[MG]I:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
8518 |
31.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.081 |
| 37 |
105 |
|
[MG]F:304 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
9358 |
28.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.047 |
106 |
|
[MG]I:303 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
8609 |
24.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.047 |
| Average: |
26.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.047 |
| 38 |
107 |
|
[MG]F:302 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
8995 |
25.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.035 |
| 39 |
108 |
|
L |
2 |
1 |
9188 |
x |
L |
x-1,y,z |
1_455 |
3 |
2 |
9188 |
25.3 |
0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
| 40 |
109 |
|
J |
6 |
3 |
8609 |
x |
J |
x-1,y,z |
1_455 |
3 |
2 |
8609 |
25.1 |
-0.5 |
0.450 |
0 |
0 |
0 |
0.000 |
| 41 |
110 |
|
[MG]I:301 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
9021 |
24.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.057 |
| 42 |
111 |
|
B |
6 |
1 |
9113 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
9113 |
20.6 |
-0.6 |
0.221 |
0 |
0 |
0 |
0.000 |
| 43 |
112 |
|
D |
4 |
2 |
9362 |
◊ |
P |
x-1,y,z |
1_455 |
2 |
1 |
1438 |
17.6 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
113 |
|
S |
1 |
1 |
1447 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
1 |
8995 |
4.0 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
| Average: |
10.8 |
0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
|